CID 204931

Phenetole, beta,beta'-sulfonyldi-

Structural Information

Molecular Formula
C16H18O4S
SMILES
C1=CC=C(C=C1)OCCS(=O)(=O)CCOC2=CC=CC=C2
InChI
InChI=1S/C16H18O4S/c17-21(18,13-11-19-15-7-3-1-4-8-15)14-12-20-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
KRECTRBDPHNKRQ-UHFFFAOYSA-N
Compound name
2-(2-phenoxyethylsulfonyl)ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

306.0926 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.09988 169.8
[M+Na]+ 329.08182 176.3
[M-H]- 305.08532 176.1
[M+NH4]+ 324.12642 184.6
[M+K]+ 345.05576 172.4
[M+H-H2O]+ 289.08986 161.9
[M+HCOO]- 351.09080 188.1
[M+CH3COO]- 365.10645 198.7
[M+Na-2H]- 327.06727 174.6
[M]+ 306.09205 175.4
[M]- 306.09315 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe